4-methoxy-3-(3-methoxypropoxy)-N-methyl-N-propan-2-ylbenzamide

C16H25NO4 — CID 59224071

IUPAC4-methoxy-3-(3-methoxypropoxy)-N-methyl-N-propan-2-ylbenzamide
SMILESCOCCCOc1cc(C(=O)N(C)C(C)C)ccc1OC
InChIInChI=1S/C16H25NO4/c1-12(2)17(3)16(18)13-7-8-14(20-5)15(11-13)21-10-6-9-19-4/h7-8,11-12H,6,9-10H2,1-5H3
InChIKeyNOABKJFHYNPJHC-UHFFFAOYSA-N
MW295.38 g/mol
LogP2.59
Rot. Bonds8

About 4-methoxy-3-(3-methoxypropoxy)-N-methyl-N-propan-2-ylbenzamide

4-methoxy-3-(3-methoxypropoxy)-N-methyl-N-propan-2-ylbenzamide (PubChem CID 59224071) has the molecular formula C16H25NO4 and a molecular weight of 295.38 g/mol. Its IUPAC name is 4-methoxy-3-(3-methoxypropoxy)-N-methyl-N-propan-2-ylbenzamide.

Molecular Properties

Compound Name4-methoxy-3-(3-methoxypropoxy)-N-methyl-N-propan-2-ylbenzamide
PubChem CID59224071
Molecular FormulaC16H25NO4
Molecular Weight295.38 g/mol
Exact Mass295.18
IUPAC Name4-methoxy-3-(3-methoxypropoxy)-N-methyl-N-propan-2-ylbenzamide
SMILESCOCCCOc1cc(C(=O)N(C)C(C)C)ccc1OC
InChIInChI=1S/C16H25NO4/c1-12(2)17(3)16(18)13-7-8-14(20-5)15(11-13)21-10-6-9-19-4/h7-8,11-12H,6,9-10H2,1-5H3
InChIKeyNOABKJFHYNPJHC-UHFFFAOYSA-N
XLogP2.59
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.38
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

[4-methoxy-3-(3-methoxypropoxy)benzoyl]chloranium
CID 147794030
4-methoxy-3-(3-methoxypropoxy)-N-methyl-N-propan-2-ylbenzamide;N-propylsulfanylpyrrolidin-3-amine
CID 143248485
N,N-dimethyl-1-pyrrolidin-3-ylmethanamine;ethylbenzene;4-methoxy-3-(3-methoxypropoxy)-N-methyl-N-propan-2-ylbenzamide
CID 143294968
benzyl N-pyrrolidin-3-ylcarbamate;4-methoxy-3-(3-methoxypropoxy)-N-methyl-N-propan-2-ylbenzamide
CID 143248641
N-[[(3S,4S)-4-(hydroxymethyl)pyrrolidin-3-yl]methyl]-4-methoxy-3-(3-methoxypropoxy)-N-propan-2-ylbenzamide
CID 11851632
4-methoxy-3-(3-methoxypropoxy)-N-[(3S)-piperidin-3-yl]-N-propan-2-ylbenzamide
CID 24998743
4-methoxy-3-(3-methoxypropoxy)-N-methyl-N-propan-2-ylbenzamide;(3Z,5Z)-N-(pyrrolidin-3-ylmethyl)octa-3,5,7-trien-2-amine
CID 143294798
N-[[4-[[cyclopropanecarbonyl(methyl)amino]methyl]pyrrolidin-3-yl]methyl]-4-methoxy-3-(3-methoxypropoxy)-N-propan-2-ylbenzamide
CID 68616994
1-[3-methoxy-4-(3-methoxypropoxy)phenyl]ethanone
CID 60778711
N-(3-cyanophenyl)-4-methoxy-3-(3-methoxypropoxy)-N-methylbenzamide
CID 70325221
(2S,7S)-7-[4-methoxy-3-(3-methoxypropoxy)benzoyl]-N,N,8-trimethyl-2-propan-2-ylnon-4-enamide
CID 67407667
N-(1-aminopropan-2-yl)-3,4-dimethoxy-N-methylbenzamide
CID 112701397

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-3-(3-methoxypropoxy)-N-methyl-N-propan-2-ylbenzamide?
The IUPAC name of 4-methoxy-3-(3-methoxypropoxy)-N-methyl-N-propan-2-ylbenzamide (CID 59224071) is 4-methoxy-3-(3-methoxypropoxy)-N-methyl-N-propan-2-ylbenzamide.
What is the SMILES notation for 4-methoxy-3-(3-methoxypropoxy)-N-methyl-N-propan-2-ylbenzamide?
The canonical SMILES for 4-methoxy-3-(3-methoxypropoxy)-N-methyl-N-propan-2-ylbenzamide is COCCCOc1cc(C(=O)N(C)C(C)C)ccc1OC.
What is the InChIKey of 4-methoxy-3-(3-methoxypropoxy)-N-methyl-N-propan-2-ylbenzamide?
The InChIKey is NOABKJFHYNPJHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO4/c1-12(2)17(3)16(18)13-7-8-14(20-5)15(11-13)21-10-6-9-19-4/h7-8,11-12H,6,9-10H2,1-5H3.
What are the key properties of 4-methoxy-3-(3-methoxypropoxy)-N-methyl-N-propan-2-ylbenzamide?
4-methoxy-3-(3-methoxypropoxy)-N-methyl-N-propan-2-ylbenzamide has a molecular weight of 295.38 g/mol, XLogP of 2.59, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-3-(3-methoxypropoxy)-N-methyl-N-propan-2-ylbenzamide is sourced from PubChem (CID 59224071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).